1EAG

Secreted aspartic proteinase (SAP2) from Candida albicans complexed with A70450


X-RAY DIFFRACTION

Crystallization

Crystal Properties
Matthews coefficientSolvent content
2.5250

Crystal Data

Unit Cell
Length ( Å )Angle ( ˚ )
a = 76.2α = 90
b = 76.2β = 90
c = 126.1γ = 90
Symmetry
Space GroupP 43 21 2

Diffraction

Diffraction Experiment
ID #Crystal IDScattering TypeData Collection TemperatureDetectorDetector TypeDetailsCollection DateMonochromatorProtocol
11x-rayIMAGE PLATERIGAKU RAXIS IIC1993-12-06M
Radiation Source
ID #SourceTypeWavelength ListSynchrotron SiteBeamline
1

Data Collection

Refinement

Statistics
Diffraction IDStructure Solution MethodResolution (High)Resolution (Low)Number Reflections (All)Number Reflections (Observed)Number Reflections (R-Free)Percent Reflections (Observed)R-WorkR-FreeMean Isotropic B
X-RAY DIFFRACTION2.1821780217800.1950.26832.4
Temperature Factor Modeling
Anisotropic B[1][1]Anisotropic B[1][2]Anisotropic B[1][3]Anisotropic B[2][2]Anisotropic B[2][3]Anisotropic B[3][3]
RMS Deviations
KeyRefinement Restraint Deviation
p_staggered_tor18.3
p_transverse_tor17.3
p_scangle_it2.45
p_planar_tor1.875
p_mcangle_it1.72
p_scbond_it1.49
p_mcbond_it0.97
p_multtor_nbd0.278
p_singtor_nbd0.205
p_xyhbond_nbd0.177
RMS Deviations
KeyRefinement Restraint Deviation
p_staggered_tor18.3
p_transverse_tor17.3
p_scangle_it2.45
p_planar_tor1.875
p_mcangle_it1.72
p_scbond_it1.49
p_mcbond_it0.97
p_multtor_nbd0.278
p_singtor_nbd0.205
p_xyhbond_nbd0.177
p_chiral_restr0.095
p_angle_d0.035
p_planar_d0.033
p_plane_restr0.011
p_bond_d0.01
p_angle_deg
p_hb_or_metal_coord
p_xhyhbond_nbd
p_orthonormal_tor
p_special_tor
Non-Hydrogen Atoms Used in Refinement
Non-Hydrogen AtomsNumber
Protein Atoms2538
Nucleic Acid Atoms
Solvent Atoms119
Heterogen Atoms53

Software

Software
Software NamePurpose
DENZOdata reduction
PROLSQrefinement